################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18084 1 2 '3D CBCA(CO)NH' . . . 18084 1 3 '3D HNCACB' . . . 18084 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU HA H 1 4.136 0.012 . 1 . . . A 82 GLU HA . 18084 1 2 . 1 1 1 1 GLU HB2 H 1 2.136 0.007 . 1 . . . A 82 GLU HB2 . 18084 1 3 . 1 1 1 1 GLU HB3 H 1 2.136 0.007 . 1 . . . A 82 GLU HB3 . 18084 1 4 . 1 1 1 1 GLU H H 1 8.455 0.003 . 1 . . . A 82 GLU H1 . 18084 1 5 . 1 1 1 1 GLU CA C 13 58.965 0.023 . 1 . . . A 82 GLU CA . 18084 1 6 . 1 1 1 1 GLU CB C 13 29.538 0.103 . 1 . . . A 82 GLU CB . 18084 1 7 . 1 1 1 1 GLU N N 15 122.865 0.042 . 1 . . . A 82 GLU N . 18084 1 8 . 1 1 2 2 GLU H H 1 8.307 0.004 . 1 . . . A 83 GLU H . 18084 1 9 . 1 1 2 2 GLU HA H 1 4.059 0.014 . 1 . . . A 83 GLU HA . 18084 1 10 . 1 1 2 2 GLU HB2 H 1 2.046 0.063 . 1 . . . A 83 GLU HB2 . 18084 1 11 . 1 1 2 2 GLU HB3 H 1 2.046 0.063 . 1 . . . A 83 GLU HB3 . 18084 1 12 . 1 1 2 2 GLU CA C 13 59.784 0.162 . 1 . . . A 83 GLU CA . 18084 1 13 . 1 1 2 2 GLU CB C 13 29.191 0.154 . 1 . . . A 83 GLU CB . 18084 1 14 . 1 1 2 2 GLU N N 15 119.694 0.044 . 1 . . . A 83 GLU N . 18084 1 15 . 1 1 3 3 GLU H H 1 7.675 0.003 . 1 . . . A 84 GLU H . 18084 1 16 . 1 1 3 3 GLU HA H 1 4.064 0.099 . 1 . . . A 84 GLU HA . 18084 1 17 . 1 1 3 3 GLU HB2 H 1 2.229 0.050 . 2 . . . A 84 GLU HB2 . 18084 1 18 . 1 1 3 3 GLU HB3 H 1 1.831 0.050 . 2 . . . A 84 GLU HB3 . 18084 1 19 . 1 1 3 3 GLU CA C 13 59.505 0.080 . 1 . . . A 84 GLU CA . 18084 1 20 . 1 1 3 3 GLU CB C 13 30.028 0.401 . 1 . . . A 84 GLU CB . 18084 1 21 . 1 1 3 3 GLU N N 15 120.715 0.041 . 1 . . . A 84 GLU N . 18084 1 22 . 1 1 4 4 ILE H H 1 7.940 0.006 . 1 . . . A 85 ILE H . 18084 1 23 . 1 1 4 4 ILE HA H 1 3.866 0.013 . 1 . . . A 85 ILE HA . 18084 1 24 . 1 1 4 4 ILE HB H 1 2.218 0.007 . 1 . . . A 85 ILE HB . 18084 1 25 . 1 1 4 4 ILE CA C 13 65.483 0.030 . 1 . . . A 85 ILE CA . 18084 1 26 . 1 1 4 4 ILE CB C 13 37.465 0.014 . 1 . . . A 85 ILE CB . 18084 1 27 . 1 1 4 4 ILE N N 15 121.349 0.054 . 1 . . . A 85 ILE N . 18084 1 28 . 1 1 5 5 ARG H H 1 8.535 0.010 . 1 . . . A 86 ARG H . 18084 1 29 . 1 1 5 5 ARG HA H 1 4.223 0.009 . 1 . . . A 86 ARG HA . 18084 1 30 . 1 1 5 5 ARG HB2 H 1 2.002 0.077 . 1 . . . A 86 ARG HB2 . 18084 1 31 . 1 1 5 5 ARG HB3 H 1 2.002 0.077 . 1 . . . A 86 ARG HB3 . 18084 1 32 . 1 1 5 5 ARG CA C 13 60.172 0.028 . 1 . . . A 86 ARG CA . 18084 1 33 . 1 1 5 5 ARG CB C 13 29.624 0.224 . 1 . . . A 86 ARG CB . 18084 1 34 . 1 1 5 5 ARG N N 15 122.126 0.045 . 1 . . . A 86 ARG N . 18084 1 35 . 1 1 6 6 GLU H H 1 8.232 0.038 . 1 . . . A 87 GLU H . 18084 1 36 . 1 1 6 6 GLU HA H 1 4.067 0.017 . 1 . . . A 87 GLU HA . 18084 1 37 . 1 1 6 6 GLU HB2 H 1 2.202 0.041 . 1 . . . A 87 GLU HB2 . 18084 1 38 . 1 1 6 6 GLU HB3 H 1 2.202 0.041 . 1 . . . A 87 GLU HB3 . 18084 1 39 . 1 1 6 6 GLU CA C 13 59.261 0.189 . 1 . . . A 87 GLU CA . 18084 1 40 . 1 1 6 6 GLU CB C 13 29.515 0.063 . 1 . . . A 87 GLU CB . 18084 1 41 . 1 1 6 6 GLU N N 15 118.362 0.049 . 1 . . . A 87 GLU N . 18084 1 42 . 1 1 7 7 ALA H H 1 8.011 0.003 . 1 . . . A 88 ALA H . 18084 1 43 . 1 1 7 7 ALA HA H 1 4.205 0.050 . 1 . . . A 88 ALA HA . 18084 1 44 . 1 1 7 7 ALA HB1 H 1 1.950 0.004 . 1 . . . A 88 ALA HB1 . 18084 1 45 . 1 1 7 7 ALA HB2 H 1 1.950 0.004 . 1 . . . A 88 ALA HB2 . 18084 1 46 . 1 1 7 7 ALA HB3 H 1 1.950 0.004 . 1 . . . A 88 ALA HB3 . 18084 1 47 . 1 1 7 7 ALA CA C 13 55.505 0.015 . 1 . . . A 88 ALA CA . 18084 1 48 . 1 1 7 7 ALA CB C 13 17.919 0.044 . 1 . . . A 88 ALA CB . 18084 1 49 . 1 1 7 7 ALA N N 15 121.569 0.056 . 1 . . . A 88 ALA N . 18084 1 50 . 1 1 8 8 PHE H H 1 8.682 0.007 . 1 . . . A 89 PHE H . 18084 1 51 . 1 1 8 8 PHE HA H 1 3.295 0.014 . 1 . . . A 89 PHE HA . 18084 1 52 . 1 1 8 8 PHE HB2 H 1 3.114 0.050 . 1 . . . A 89 PHE HB2 . 18084 1 53 . 1 1 8 8 PHE HB3 H 1 3.114 0.050 . 1 . . . A 89 PHE HB3 . 18084 1 54 . 1 1 8 8 PHE CA C 13 62.428 0.115 . 1 . . . A 89 PHE CA . 18084 1 55 . 1 1 8 8 PHE CB C 13 39.058 0.161 . 1 . . . A 89 PHE CB . 18084 1 56 . 1 1 8 8 PHE N N 15 119.066 0.044 . 1 . . . A 89 PHE N . 18084 1 57 . 1 1 9 9 ARG H H 1 7.803 0.006 . 1 . . . A 90 ARG H . 18084 1 58 . 1 1 9 9 ARG HA H 1 3.894 0.010 . 1 . . . A 90 ARG HA . 18084 1 59 . 1 1 9 9 ARG HB2 H 1 1.986 0.015 . 1 . . . A 90 ARG HB2 . 18084 1 60 . 1 1 9 9 ARG HB3 H 1 1.986 0.015 . 1 . . . A 90 ARG HB3 . 18084 1 61 . 1 1 9 9 ARG CA C 13 58.779 0.048 . 1 . . . A 90 ARG CA . 18084 1 62 . 1 1 9 9 ARG CB C 13 30.526 0.146 . 1 . . . A 90 ARG CB . 18084 1 63 . 1 1 9 9 ARG N N 15 115.506 0.041 . 1 . . . A 90 ARG N . 18084 1 64 . 1 1 10 10 VAL H H 1 7.457 0.006 . 1 . . . A 91 VAL H . 18084 1 65 . 1 1 10 10 VAL HA H 1 3.498 0.013 . 1 . . . A 91 VAL HA . 18084 1 66 . 1 1 10 10 VAL HB H 1 2.174 0.011 . 1 . . . A 91 VAL HB . 18084 1 67 . 1 1 10 10 VAL CA C 13 65.886 0.083 . 1 . . . A 91 VAL CA . 18084 1 68 . 1 1 10 10 VAL CB C 13 31.135 0.098 . 1 . . . A 91 VAL CB . 18084 1 69 . 1 1 10 10 VAL N N 15 118.528 0.043 . 1 . . . A 91 VAL N . 18084 1 70 . 1 1 11 11 PHE H H 1 7.119 0.004 . 1 . . . A 92 PHE H . 18084 1 71 . 1 1 11 11 PHE HA H 1 4.182 0.004 . 1 . . . A 92 PHE HA . 18084 1 72 . 1 1 11 11 PHE HB2 H 1 2.731 0.001 . 1 . . . A 92 PHE HB2 . 18084 1 73 . 1 1 11 11 PHE HB3 H 1 2.731 0.001 . 1 . . . A 92 PHE HB3 . 18084 1 74 . 1 1 11 11 PHE CA C 13 60.728 0.065 . 1 . . . A 92 PHE CA . 18084 1 75 . 1 1 11 11 PHE CB C 13 41.596 0.017 . 1 . . . A 92 PHE CB . 18084 1 76 . 1 1 11 11 PHE N N 15 114.999 0.063 . 1 . . . A 92 PHE N . 18084 1 77 . 1 1 12 12 ASP H H 1 7.966 0.006 . 1 . . . A 93 ASP H . 18084 1 78 . 1 1 12 12 ASP HA H 1 4.609 0.010 . 1 . . . A 93 ASP HA . 18084 1 79 . 1 1 12 12 ASP HB2 H 1 2.247 0.002 . 2 . . . A 93 ASP HB2 . 18084 1 80 . 1 1 12 12 ASP HB3 H 1 1.342 0.006 . 2 . . . A 93 ASP HB3 . 18084 1 81 . 1 1 12 12 ASP CA C 13 52.575 0.039 . 1 . . . A 93 ASP CA . 18084 1 82 . 1 1 12 12 ASP CB C 13 38.699 0.022 . 1 . . . A 93 ASP CB . 18084 1 83 . 1 1 12 12 ASP N N 15 116.105 0.096 . 1 . . . A 93 ASP N . 18084 1 84 . 1 1 13 13 LYS H H 1 7.912 0.005 . 1 . . . A 94 LYS H . 18084 1 85 . 1 1 13 13 LYS HA H 1 3.956 0.009 . 1 . . . A 94 LYS HA . 18084 1 86 . 1 1 13 13 LYS HB2 H 1 1.845 0.029 . 1 . . . A 94 LYS HB2 . 18084 1 87 . 1 1 13 13 LYS HB3 H 1 1.845 0.029 . 1 . . . A 94 LYS HB3 . 18084 1 88 . 1 1 13 13 LYS CA C 13 59.124 0.081 . 1 . . . A 94 LYS CA . 18084 1 89 . 1 1 13 13 LYS CB C 13 32.783 0.012 . 1 . . . A 94 LYS CB . 18084 1 90 . 1 1 13 13 LYS N N 15 126.306 0.053 . 1 . . . A 94 LYS N . 18084 1 91 . 1 1 14 14 ASP H H 1 8.210 0.008 . 1 . . . A 95 ASP H . 18084 1 92 . 1 1 14 14 ASP HA H 1 4.574 0.005 . 1 . . . A 95 ASP HA . 18084 1 93 . 1 1 14 14 ASP HB2 H 1 3.107 0.012 . 2 . . . A 95 ASP HB2 . 18084 1 94 . 1 1 14 14 ASP HB3 H 1 2.664 0.002 . 2 . . . A 95 ASP HB3 . 18084 1 95 . 1 1 14 14 ASP CA C 13 53.094 0.098 . 1 . . . A 95 ASP CA . 18084 1 96 . 1 1 14 14 ASP CB C 13 39.625 0.062 . 1 . . . A 95 ASP CB . 18084 1 97 . 1 1 14 14 ASP N N 15 114.408 0.030 . 1 . . . A 95 ASP N . 18084 1 98 . 1 1 15 15 GLY H H 1 7.789 0.004 . 1 . . . A 96 GLY H . 18084 1 99 . 1 1 15 15 GLY HA2 H 1 3.848 0.010 . 1 . . . A 96 GLY HA2 . 18084 1 100 . 1 1 15 15 GLY HA3 H 1 3.848 0.010 . 1 . . . A 96 GLY HA3 . 18084 1 101 . 1 1 15 15 GLY CA C 13 47.204 0.017 . 1 . . . A 96 GLY CA . 18084 1 102 . 1 1 15 15 GLY N N 15 109.216 0.050 . 1 . . . A 96 GLY N . 18084 1 103 . 1 1 16 16 ASN H H 1 8.376 0.005 . 1 . . . A 97 ASN H . 18084 1 104 . 1 1 16 16 ASN HA H 1 4.670 0.009 . 1 . . . A 97 ASN HA . 18084 1 105 . 1 1 16 16 ASN HB2 H 1 3.432 0.005 . 2 . . . A 97 ASN HB2 . 18084 1 106 . 1 1 16 16 ASN HB3 H 1 2.694 0.008 . 2 . . . A 97 ASN HB3 . 18084 1 107 . 1 1 16 16 ASN CA C 13 52.817 0.044 . 1 . . . A 97 ASN CA . 18084 1 108 . 1 1 16 16 ASN CB C 13 38.260 0.027 . 1 . . . A 97 ASN CB . 18084 1 109 . 1 1 16 16 ASN N N 15 119.756 0.040 . 1 . . . A 97 ASN N . 18084 1 110 . 1 1 17 17 GLY H H 1 10.652 0.003 . 1 . . . A 98 GLY H . 18084 1 111 . 1 1 17 17 GLY HA2 H 1 4.097 0.050 . 2 . . . A 98 GLY HA2 . 18084 1 112 . 1 1 17 17 GLY HA3 H 1 3.479 0.005 . 2 . . . A 98 GLY HA3 . 18084 1 113 . 1 1 17 17 GLY CA C 13 45.075 0.036 . 1 . . . A 98 GLY CA . 18084 1 114 . 1 1 17 17 GLY N N 15 112.788 0.048 . 1 . . . A 98 GLY N . 18084 1 115 . 1 1 18 18 TYR H H 1 7.674 0.005 . 1 . . . A 99 TYR H . 18084 1 116 . 1 1 18 18 TYR HA H 1 5.061 0.009 . 1 . . . A 99 TYR HA . 18084 1 117 . 1 1 18 18 TYR HB2 H 1 2.556 0.006 . 1 . . . A 99 TYR HB2 . 18084 1 118 . 1 1 18 18 TYR HB3 H 1 2.556 0.006 . 1 . . . A 99 TYR HB3 . 18084 1 119 . 1 1 18 18 TYR CA C 13 56.262 0.061 . 1 . . . A 99 TYR CA . 18084 1 120 . 1 1 18 18 TYR CB C 13 43.007 0.078 . 1 . . . A 99 TYR CB . 18084 1 121 . 1 1 18 18 TYR N N 15 116.107 0.039 . 1 . . . A 99 TYR N . 18084 1 122 . 1 1 19 19 ILE H H 1 10.172 0.004 . 1 . . . A 100 ILE H . 18084 1 123 . 1 1 19 19 ILE HA H 1 4.720 0.005 . 1 . . . A 100 ILE HA . 18084 1 124 . 1 1 19 19 ILE HB H 1 1.976 0.003 . 1 . . . A 100 ILE HB . 18084 1 125 . 1 1 19 19 ILE CA C 13 61.231 0.069 . 1 . . . A 100 ILE CA . 18084 1 126 . 1 1 19 19 ILE CB C 13 39.342 0.033 . 1 . . . A 100 ILE CB . 18084 1 127 . 1 1 19 19 ILE N N 15 127.280 0.042 . 1 . . . A 100 ILE N . 18084 1 128 . 1 1 20 20 SER H H 1 8.978 0.009 . 1 . . . A 101 SER H . 18084 1 129 . 1 1 20 20 SER HA H 1 4.959 0.009 . 1 . . . A 101 SER HA . 18084 1 130 . 1 1 20 20 SER HB2 H 1 4.451 0.003 . 2 . . . A 101 SER HB2 . 18084 1 131 . 1 1 20 20 SER HB3 H 1 4.008 0.004 . 2 . . . A 101 SER HB3 . 18084 1 132 . 1 1 20 20 SER CA C 13 55.629 0.164 . 1 . . . A 101 SER CA . 18084 1 133 . 1 1 20 20 SER CB C 13 66.984 0.036 . 1 . . . A 101 SER CB . 18084 1 134 . 1 1 20 20 SER N N 15 123.721 0.072 . 1 . . . A 101 SER N . 18084 1 135 . 1 1 21 21 ALA H H 1 9.212 0.004 . 1 . . . A 102 ALA H . 18084 1 136 . 1 1 21 21 ALA HA H 1 3.920 0.002 . 1 . . . A 102 ALA HA . 18084 1 137 . 1 1 21 21 ALA HB1 H 1 1.496 0.008 . 1 . . . A 102 ALA HB1 . 18084 1 138 . 1 1 21 21 ALA HB2 H 1 1.496 0.008 . 1 . . . A 102 ALA HB2 . 18084 1 139 . 1 1 21 21 ALA HB3 H 1 1.496 0.008 . 1 . . . A 102 ALA HB3 . 18084 1 140 . 1 1 21 21 ALA CA C 13 55.987 0.110 . 1 . . . A 102 ALA CA . 18084 1 141 . 1 1 21 21 ALA CB C 13 18.036 0.058 . 1 . . . A 102 ALA CB . 18084 1 142 . 1 1 21 21 ALA N N 15 123.086 0.042 . 1 . . . A 102 ALA N . 18084 1 143 . 1 1 22 22 ALA H H 1 8.234 0.003 . 1 . . . A 103 ALA H . 18084 1 144 . 1 1 22 22 ALA HA H 1 4.066 0.050 . 1 . . . A 103 ALA HA . 18084 1 145 . 1 1 22 22 ALA HB1 H 1 1.442 0.006 . 1 . . . A 103 ALA HB1 . 18084 1 146 . 1 1 22 22 ALA HB2 H 1 1.442 0.006 . 1 . . . A 103 ALA HB2 . 18084 1 147 . 1 1 22 22 ALA HB3 H 1 1.442 0.006 . 1 . . . A 103 ALA HB3 . 18084 1 148 . 1 1 22 22 ALA CA C 13 55.277 0.143 . 1 . . . A 103 ALA CA . 18084 1 149 . 1 1 22 22 ALA CB C 13 18.403 0.055 . 1 . . . A 103 ALA CB . 18084 1 150 . 1 1 22 22 ALA N N 15 118.515 0.024 . 1 . . . A 103 ALA N . 18084 1 151 . 1 1 23 23 GLU H H 1 7.863 0.004 . 1 . . . A 104 GLU H . 18084 1 152 . 1 1 23 23 GLU HA H 1 4.052 0.017 . 1 . . . A 104 GLU HA . 18084 1 153 . 1 1 23 23 GLU HB2 H 1 2.580 0.003 . 1 . . . A 104 GLU HB2 . 18084 1 154 . 1 1 23 23 GLU HB3 H 1 2.580 0.003 . 1 . . . A 104 GLU HB3 . 18084 1 155 . 1 1 23 23 GLU CA C 13 59.617 0.067 . 1 . . . A 104 GLU CA . 18084 1 156 . 1 1 23 23 GLU CB C 13 29.263 0.121 . 1 . . . A 104 GLU CB . 18084 1 157 . 1 1 23 23 GLU N N 15 120.368 0.035 . 1 . . . A 104 GLU N . 18084 1 158 . 1 1 24 24 LEU H H 1 8.502 0.005 . 1 . . . A 105 LEU H . 18084 1 159 . 1 1 24 24 LEU HA H 1 4.187 0.010 . 1 . . . A 105 LEU HA . 18084 1 160 . 1 1 24 24 LEU HB2 H 1 1.912 0.005 . 2 . . . A 105 LEU HB2 . 18084 1 161 . 1 1 24 24 LEU HB3 H 1 1.373 0.025 . 2 . . . A 105 LEU HB3 . 18084 1 162 . 1 1 24 24 LEU CA C 13 58.561 0.026 . 1 . . . A 105 LEU CA . 18084 1 163 . 1 1 24 24 LEU CB C 13 42.122 0.018 . 1 . . . A 105 LEU CB . 18084 1 164 . 1 1 24 24 LEU N N 15 121.416 0.105 . 1 . . . A 105 LEU N . 18084 1 165 . 1 1 25 25 ARG H H 1 8.691 0.006 . 1 . . . A 106 ARG H . 18084 1 166 . 1 1 25 25 ARG HA H 1 3.710 0.007 . 1 . . . A 106 ARG HA . 18084 1 167 . 1 1 25 25 ARG HB2 H 1 1.989 0.010 . 1 . . . A 106 ARG HB2 . 18084 1 168 . 1 1 25 25 ARG HB3 H 1 1.989 0.010 . 1 . . . A 106 ARG HB3 . 18084 1 169 . 1 1 25 25 ARG CA C 13 60.063 0.129 . 1 . . . A 106 ARG CA . 18084 1 170 . 1 1 25 25 ARG CB C 13 30.399 0.008 . 1 . . . A 106 ARG CB . 18084 1 171 . 1 1 25 25 ARG N N 15 118.344 0.020 . 1 . . . A 106 ARG N . 18084 1 172 . 1 1 26 26 HIS H H 1 7.960 0.002 . 1 . . . A 107 HIS H . 18084 1 173 . 1 1 26 26 HIS HA H 1 4.307 0.050 . 1 . . . A 107 HIS HA . 18084 1 174 . 1 1 26 26 HIS HB2 H 1 3.336 0.050 . 1 . . . A 107 HIS HB2 . 18084 1 175 . 1 1 26 26 HIS HB3 H 1 3.336 0.050 . 1 . . . A 107 HIS HB3 . 18084 1 176 . 1 1 26 26 HIS CA C 13 60.105 0.100 . 1 . . . A 107 HIS CA . 18084 1 177 . 1 1 26 26 HIS CB C 13 30.761 0.100 . 1 . . . A 107 HIS CB . 18084 1 178 . 1 1 26 26 HIS N N 15 119.487 0.070 . 1 . . . A 107 HIS N . 18084 1 179 . 1 1 27 27 VAL H H 1 7.896 0.030 . 1 . . . A 108 VAL H . 18084 1 180 . 1 1 27 27 VAL HA H 1 3.513 0.011 . 1 . . . A 108 VAL HA . 18084 1 181 . 1 1 27 27 VAL HB H 1 1.974 0.050 . 1 . . . A 108 VAL HB . 18084 1 182 . 1 1 27 27 VAL CA C 13 66.746 0.054 . 1 . . . A 108 VAL CA . 18084 1 183 . 1 1 27 27 VAL CB C 13 31.783 0.029 . 1 . . . A 108 VAL CB . 18084 1 184 . 1 1 27 27 VAL N N 15 119.546 0.413 . 1 . . . A 108 VAL N . 18084 1 185 . 1 1 28 28 MET H H 1 8.348 0.005 . 1 . . . A 109 MET H . 18084 1 186 . 1 1 28 28 MET HA H 1 4.359 0.004 . 1 . . . A 109 MET HA . 18084 1 187 . 1 1 28 28 MET HB2 H 1 2.075 0.025 . 1 . . . A 109 MET HB2 . 18084 1 188 . 1 1 28 28 MET HB3 H 1 2.075 0.025 . 1 . . . A 109 MET HB3 . 18084 1 189 . 1 1 28 28 MET CA C 13 57.020 0.013 . 1 . . . A 109 MET CA . 18084 1 190 . 1 1 28 28 MET CB C 13 29.108 0.185 . 1 . . . A 109 MET CB . 18084 1 191 . 1 1 28 28 MET N N 15 115.613 0.064 . 1 . . . A 109 MET N . 18084 1 192 . 1 1 29 29 THR H H 1 8.318 0.003 . 1 . . . A 110 THR H . 18084 1 193 . 1 1 29 29 THR HA H 1 4.115 0.050 . 1 . . . A 110 THR HA . 18084 1 194 . 1 1 29 29 THR CA C 13 66.511 0.084 . 1 . . . A 110 THR CA . 18084 1 195 . 1 1 29 29 THR CB C 13 68.667 0.059 . 1 . . . A 110 THR CB . 18084 1 196 . 1 1 29 29 THR N N 15 116.414 0.027 . 1 . . . A 110 THR N . 18084 1 197 . 1 1 30 30 ASN H H 1 7.792 0.006 . 1 . . . A 111 ASN H . 18084 1 198 . 1 1 30 30 ASN HA H 1 4.476 0.003 . 1 . . . A 111 ASN HA . 18084 1 199 . 1 1 30 30 ASN HB2 H 1 2.838 0.007 . 1 . . . A 111 ASN HB2 . 18084 1 200 . 1 1 30 30 ASN HB3 H 1 2.838 0.007 . 1 . . . A 111 ASN HB3 . 18084 1 201 . 1 1 30 30 ASN CA C 13 55.892 0.021 . 1 . . . A 111 ASN CA . 18084 1 202 . 1 1 30 30 ASN CB C 13 38.279 0.090 . 1 . . . A 111 ASN CB . 18084 1 203 . 1 1 30 30 ASN N N 15 123.002 0.052 . 1 . . . A 111 ASN N . 18084 1 204 . 1 1 31 31 LEU H H 1 7.788 0.005 . 1 . . . A 112 LEU H . 18084 1 205 . 1 1 31 31 LEU HA H 1 4.331 0.010 . 1 . . . A 112 LEU HA . 18084 1 206 . 1 1 31 31 LEU HB2 H 1 1.930 0.050 . 2 . . . A 112 LEU HB2 . 18084 1 207 . 1 1 31 31 LEU HB3 H 1 1.766 0.002 . 2 . . . A 112 LEU HB3 . 18084 1 208 . 1 1 31 31 LEU CA C 13 55.619 0.021 . 1 . . . A 112 LEU CA . 18084 1 209 . 1 1 31 31 LEU CB C 13 42.190 0.035 . 1 . . . A 112 LEU CB . 18084 1 210 . 1 1 31 31 LEU N N 15 119.010 0.047 . 1 . . . A 112 LEU N . 18084 1 211 . 1 1 32 32 GLY H H 1 7.816 0.002 . 1 . . . A 113 GLY H . 18084 1 212 . 1 1 32 32 GLY HA2 H 1 4.271 0.050 . 2 . . . A 113 GLY HA2 . 18084 1 213 . 1 1 32 32 GLY HA3 H 1 3.715 0.005 . 2 . . . A 113 GLY HA3 . 18084 1 214 . 1 1 32 32 GLY CA C 13 45.330 0.009 . 1 . . . A 113 GLY CA . 18084 1 215 . 1 1 32 32 GLY N N 15 106.844 0.032 . 1 . . . A 113 GLY N . 18084 1 216 . 1 1 33 33 GLU H H 1 7.888 0.009 . 1 . . . A 114 GLU H . 18084 1 217 . 1 1 33 33 GLU HA H 1 4.454 0.050 . 1 . . . A 114 GLU HA . 18084 1 218 . 1 1 33 33 GLU HB2 H 1 1.879 0.050 . 2 . . . A 114 GLU HB2 . 18084 1 219 . 1 1 33 33 GLU HB3 H 1 1.618 0.050 . 2 . . . A 114 GLU HB3 . 18084 1 220 . 1 1 33 33 GLU CA C 13 55.014 0.044 . 1 . . . A 114 GLU CA . 18084 1 221 . 1 1 33 33 GLU CB C 13 30.494 0.036 . 1 . . . A 114 GLU CB . 18084 1 222 . 1 1 33 33 GLU N N 15 120.325 0.043 . 1 . . . A 114 GLU N . 18084 1 223 . 1 1 34 34 LYS H H 1 8.576 0.006 . 1 . . . A 115 LYS H . 18084 1 224 . 1 1 34 34 LYS HA H 1 4.401 0.009 . 1 . . . A 115 LYS HA . 18084 1 225 . 1 1 34 34 LYS HB2 H 1 1.719 0.004 . 1 . . . A 115 LYS HB2 . 18084 1 226 . 1 1 34 34 LYS HB3 H 1 1.719 0.004 . 1 . . . A 115 LYS HB3 . 18084 1 227 . 1 1 34 34 LYS CA C 13 55.500 0.143 . 1 . . . A 115 LYS CA . 18084 1 228 . 1 1 34 34 LYS CB C 13 31.970 0.032 . 1 . . . A 115 LYS CB . 18084 1 229 . 1 1 34 34 LYS N N 15 125.103 0.026 . 1 . . . A 115 LYS N . 18084 1 230 . 1 1 35 35 LEU H H 1 8.002 0.003 . 1 . . . A 116 LEU H . 18084 1 231 . 1 1 35 35 LEU HA H 1 4.759 0.004 . 1 . . . A 116 LEU HA . 18084 1 232 . 1 1 35 35 LEU HB2 H 1 1.502 0.004 . 1 . . . A 116 LEU HB2 . 18084 1 233 . 1 1 35 35 LEU HB3 H 1 1.502 0.004 . 1 . . . A 116 LEU HB3 . 18084 1 234 . 1 1 35 35 LEU CA C 13 54.130 0.035 . 1 . . . A 116 LEU CA . 18084 1 235 . 1 1 35 35 LEU CB C 13 44.629 0.057 . 1 . . . A 116 LEU CB . 18084 1 236 . 1 1 35 35 LEU N N 15 124.861 0.042 . 1 . . . A 116 LEU N . 18084 1 237 . 1 1 36 36 THR H H 1 9.238 0.003 . 1 . . . A 117 THR H . 18084 1 238 . 1 1 36 36 THR HA H 1 4.601 0.141 . 1 . . . A 117 THR HA . 18084 1 239 . 1 1 36 36 THR HB H 1 4.457 0.050 . 1 . . . A 117 THR HB . 18084 1 240 . 1 1 36 36 THR CA C 13 60.777 0.004 . 1 . . . A 117 THR CA . 18084 1 241 . 1 1 36 36 THR CB C 13 71.180 0.032 . 1 . . . A 117 THR CB . 18084 1 242 . 1 1 36 36 THR N N 15 114.594 0.053 . 1 . . . A 117 THR N . 18084 1 243 . 1 1 37 37 ASP H H 1 8.854 0.002 . 1 . . . A 118 ASP H . 18084 1 244 . 1 1 37 37 ASP HA H 1 4.216 0.008 . 1 . . . A 118 ASP HA . 18084 1 245 . 1 1 37 37 ASP HB2 H 1 2.654 0.081 . 1 . . . A 118 ASP HB2 . 18084 1 246 . 1 1 37 37 ASP HB3 H 1 2.654 0.081 . 1 . . . A 118 ASP HB3 . 18084 1 247 . 1 1 37 37 ASP CA C 13 58.138 0.068 . 1 . . . A 118 ASP CA . 18084 1 248 . 1 1 37 37 ASP CB C 13 39.658 0.101 . 1 . . . A 118 ASP CB . 18084 1 249 . 1 1 37 37 ASP N N 15 121.017 0.061 . 1 . . . A 118 ASP N . 18084 1 250 . 1 1 38 38 GLU H H 1 8.629 0.006 . 1 . . . A 119 GLU H . 18084 1 251 . 1 1 38 38 GLU HA H 1 4.113 0.009 . 1 . . . A 119 GLU HA . 18084 1 252 . 1 1 38 38 GLU HB2 H 1 2.058 0.019 . 1 . . . A 119 GLU HB2 . 18084 1 253 . 1 1 38 38 GLU HB3 H 1 2.058 0.019 . 1 . . . A 119 GLU HB3 . 18084 1 254 . 1 1 38 38 GLU CA C 13 59.919 0.061 . 1 . . . A 119 GLU CA . 18084 1 255 . 1 1 38 38 GLU CB C 13 29.132 0.051 . 1 . . . A 119 GLU CB . 18084 1 256 . 1 1 38 38 GLU N N 15 119.262 0.064 . 1 . . . A 119 GLU N . 18084 1 257 . 1 1 39 39 GLU H H 1 8.097 0.003 . 1 . . . A 120 GLU H . 18084 1 258 . 1 1 39 39 GLU HA H 1 4.074 0.149 . 1 . . . A 120 GLU HA . 18084 1 259 . 1 1 39 39 GLU HB2 H 1 2.073 0.224 . 1 . . . A 120 GLU HB2 . 18084 1 260 . 1 1 39 39 GLU HB3 H 1 2.073 0.224 . 1 . . . A 120 GLU HB3 . 18084 1 261 . 1 1 39 39 GLU CA C 13 59.391 0.150 . 1 . . . A 120 GLU CA . 18084 1 262 . 1 1 39 39 GLU CB C 13 30.211 0.431 . 1 . . . A 120 GLU CB . 18084 1 263 . 1 1 39 39 GLU N N 15 118.567 0.041 . 1 . . . A 120 GLU N . 18084 1 264 . 1 1 40 40 VAL H H 1 7.969 0.004 . 1 . . . A 121 VAL H . 18084 1 265 . 1 1 40 40 VAL HA H 1 3.465 0.005 . 1 . . . A 121 VAL HA . 18084 1 266 . 1 1 40 40 VAL HB H 1 2.193 0.016 . 1 . . . A 121 VAL HB . 18084 1 267 . 1 1 40 40 VAL CA C 13 66.809 0.086 . 1 . . . A 121 VAL CA . 18084 1 268 . 1 1 40 40 VAL CB C 13 31.587 0.100 . 1 . . . A 121 VAL CB . 18084 1 269 . 1 1 40 40 VAL N N 15 120.686 0.050 . 1 . . . A 121 VAL N . 18084 1 270 . 1 1 41 41 ASP H H 1 7.972 0.005 . 1 . . . A 122 ASP H . 18084 1 271 . 1 1 41 41 ASP HA H 1 4.348 0.050 . 1 . . . A 122 ASP HA . 18084 1 272 . 1 1 41 41 ASP HB2 H 1 2.737 0.050 . 1 . . . A 122 ASP HB2 . 18084 1 273 . 1 1 41 41 ASP HB3 H 1 2.737 0.050 . 1 . . . A 122 ASP HB3 . 18084 1 274 . 1 1 41 41 ASP CA C 13 57.868 0.085 . 1 . . . A 122 ASP CA . 18084 1 275 . 1 1 41 41 ASP CB C 13 40.541 0.095 . 1 . . . A 122 ASP CB . 18084 1 276 . 1 1 41 41 ASP N N 15 119.330 0.045 . 1 . . . A 122 ASP N . 18084 1 277 . 1 1 42 42 GLU H H 1 8.016 0.021 . 1 . . . A 123 GLU H . 18084 1 278 . 1 1 42 42 GLU HA H 1 3.975 0.050 . 1 . . . A 123 GLU HA . 18084 1 279 . 1 1 42 42 GLU HB2 H 1 2.153 0.050 . 1 . . . A 123 GLU HB2 . 18084 1 280 . 1 1 42 42 GLU HB3 H 1 2.153 0.050 . 1 . . . A 123 GLU HB3 . 18084 1 281 . 1 1 42 42 GLU CA C 13 59.521 0.007 . 1 . . . A 123 GLU CA . 18084 1 282 . 1 1 42 42 GLU CB C 13 29.566 0.090 . 1 . . . A 123 GLU CB . 18084 1 283 . 1 1 42 42 GLU N N 15 119.682 0.105 . 1 . . . A 123 GLU N . 18084 1 284 . 1 1 43 43 MET H H 1 7.825 0.007 . 1 . . . A 124 MET H . 18084 1 285 . 1 1 43 43 MET HA H 1 4.123 0.050 . 1 . . . A 124 MET HA . 18084 1 286 . 1 1 43 43 MET HB2 H 1 2.131 0.011 . 1 . . . A 124 MET HB2 . 18084 1 287 . 1 1 43 43 MET HB3 H 1 2.131 0.011 . 1 . . . A 124 MET HB3 . 18084 1 288 . 1 1 43 43 MET CA C 13 60.111 0.100 . 1 . . . A 124 MET CA . 18084 1 289 . 1 1 43 43 MET CB C 13 33.358 0.100 . 1 . . . A 124 MET CB . 18084 1 290 . 1 1 43 43 MET N N 15 119.466 0.061 . 1 . . . A 124 MET N . 18084 1 291 . 1 1 44 44 ILE H H 1 7.952 0.006 . 1 . . . A 125 ILE H . 18084 1 292 . 1 1 44 44 ILE HA H 1 3.821 0.011 . 1 . . . A 125 ILE HA . 18084 1 293 . 1 1 44 44 ILE HB H 1 2.309 0.004 . 1 . . . A 125 ILE HB . 18084 1 294 . 1 1 44 44 ILE CA C 13 63.732 0.042 . 1 . . . A 125 ILE CA . 18084 1 295 . 1 1 44 44 ILE CB C 13 36.277 0.088 . 1 . . . A 125 ILE CB . 18084 1 296 . 1 1 44 44 ILE N N 15 119.195 0.022 . 1 . . . A 125 ILE N . 18084 1 297 . 1 1 45 45 ARG H H 1 8.492 0.006 . 1 . . . A 126 ARG H . 18084 1 298 . 1 1 45 45 ARG HA H 1 4.063 0.023 . 1 . . . A 126 ARG HA . 18084 1 299 . 1 1 45 45 ARG HB2 H 1 1.928 0.001 . 1 . . . A 126 ARG HB2 . 18084 1 300 . 1 1 45 45 ARG HB3 H 1 1.928 0.001 . 1 . . . A 126 ARG HB3 . 18084 1 301 . 1 1 45 45 ARG CA C 13 59.825 0.035 . 1 . . . A 126 ARG CA . 18084 1 302 . 1 1 45 45 ARG CB C 13 30.427 0.087 . 1 . . . A 126 ARG CB . 18084 1 303 . 1 1 45 45 ARG N N 15 118.673 0.080 . 1 . . . A 126 ARG N . 18084 1 304 . 1 1 46 46 GLU H H 1 7.944 0.005 . 1 . . . A 127 GLU H . 18084 1 305 . 1 1 46 46 GLU HA H 1 4.036 0.007 . 1 . . . A 127 GLU HA . 18084 1 306 . 1 1 46 46 GLU HB2 H 1 2.229 0.015 . 1 . . . A 127 GLU HB2 . 18084 1 307 . 1 1 46 46 GLU HB3 H 1 2.229 0.015 . 1 . . . A 127 GLU HB3 . 18084 1 308 . 1 1 46 46 GLU CA C 13 58.676 0.013 . 1 . . . A 127 GLU CA . 18084 1 309 . 1 1 46 46 GLU CB C 13 29.842 0.034 . 1 . . . A 127 GLU CB . 18084 1 310 . 1 1 46 46 GLU N N 15 116.432 0.044 . 1 . . . A 127 GLU N . 18084 1 311 . 1 1 47 47 ALA H H 1 7.195 0.002 . 1 . . . A 128 ALA H . 18084 1 312 . 1 1 47 47 ALA HA H 1 4.466 0.050 . 1 . . . A 128 ALA HA . 18084 1 313 . 1 1 47 47 ALA HB1 H 1 1.290 0.003 . 1 . . . A 128 ALA HB1 . 18084 1 314 . 1 1 47 47 ALA HB2 H 1 1.290 0.003 . 1 . . . A 128 ALA HB2 . 18084 1 315 . 1 1 47 47 ALA HB3 H 1 1.290 0.003 . 1 . . . A 128 ALA HB3 . 18084 1 316 . 1 1 47 47 ALA CA C 13 51.798 0.022 . 1 . . . A 128 ALA CA . 18084 1 317 . 1 1 47 47 ALA CB C 13 22.115 0.035 . 1 . . . A 128 ALA CB . 18084 1 318 . 1 1 47 47 ALA N N 15 118.021 0.055 . 1 . . . A 128 ALA N . 18084 1 319 . 1 1 48 48 ASP H H 1 8.024 0.003 . 1 . . . A 129 ASP H . 18084 1 320 . 1 1 48 48 ASP HA H 1 4.494 0.050 . 1 . . . A 129 ASP HA . 18084 1 321 . 1 1 48 48 ASP HB2 H 1 2.856 0.050 . 2 . . . A 129 ASP HB2 . 18084 1 322 . 1 1 48 48 ASP HB3 H 1 2.518 0.050 . 2 . . . A 129 ASP HB3 . 18084 1 323 . 1 1 48 48 ASP CA C 13 54.472 0.027 . 1 . . . A 129 ASP CA . 18084 1 324 . 1 1 48 48 ASP CB C 13 40.753 0.019 . 1 . . . A 129 ASP CB . 18084 1 325 . 1 1 48 48 ASP N N 15 117.984 0.043 . 1 . . . A 129 ASP N . 18084 1 326 . 1 1 49 49 ILE H H 1 8.302 0.009 . 1 . . . A 130 ILE H . 18084 1 327 . 1 1 49 49 ILE HA H 1 3.918 0.014 . 1 . . . A 130 ILE HA . 18084 1 328 . 1 1 49 49 ILE HB H 1 1.987 0.008 . 1 . . . A 130 ILE HB . 18084 1 329 . 1 1 49 49 ILE CA C 13 63.240 0.100 . 1 . . . A 130 ILE CA . 18084 1 330 . 1 1 49 49 ILE CB C 13 38.809 0.100 . 1 . . . A 130 ILE CB . 18084 1 331 . 1 1 49 49 ILE N N 15 127.861 0.047 . 1 . . . A 130 ILE N . 18084 1 332 . 1 1 50 50 ASP H H 1 8.350 0.005 . 1 . . . A 131 ASP H . 18084 1 333 . 1 1 50 50 ASP HA H 1 4.541 0.050 . 1 . . . A 131 ASP HA . 18084 1 334 . 1 1 50 50 ASP HB2 H 1 3.103 0.050 . 2 . . . A 131 ASP HB2 . 18084 1 335 . 1 1 50 50 ASP HB3 H 1 2.657 0.050 . 2 . . . A 131 ASP HB3 . 18084 1 336 . 1 1 50 50 ASP CA C 13 54.045 0.004 . 1 . . . A 131 ASP CA . 18084 1 337 . 1 1 50 50 ASP CB C 13 39.947 0.003 . 1 . . . A 131 ASP CB . 18084 1 338 . 1 1 50 50 ASP N N 15 116.838 0.068 . 1 . . . A 131 ASP N . 18084 1 339 . 1 1 51 51 GLY H H 1 7.634 0.004 . 1 . . . A 132 GLY H . 18084 1 340 . 1 1 51 51 GLY HA2 H 1 4.001 0.050 . 2 . . . A 132 GLY HA2 . 18084 1 341 . 1 1 51 51 GLY HA3 H 1 3.827 0.050 . 2 . . . A 132 GLY HA3 . 18084 1 342 . 1 1 51 51 GLY CA C 13 47.528 0.023 . 1 . . . A 132 GLY CA . 18084 1 343 . 1 1 51 51 GLY N N 15 108.737 0.070 . 1 . . . A 132 GLY N . 18084 1 344 . 1 1 52 52 ASP H H 1 8.390 0.005 . 1 . . . A 133 ASP H . 18084 1 345 . 1 1 52 52 ASP HA H 1 4.486 0.002 . 1 . . . A 133 ASP HA . 18084 1 346 . 1 1 52 52 ASP HB2 H 1 2.981 0.012 . 2 . . . A 133 ASP HB2 . 18084 1 347 . 1 1 52 52 ASP HB3 H 1 2.530 0.001 . 2 . . . A 133 ASP HB3 . 18084 1 348 . 1 1 52 52 ASP CA C 13 53.799 0.011 . 1 . . . A 133 ASP CA . 18084 1 349 . 1 1 52 52 ASP CB C 13 40.223 0.030 . 1 . . . A 133 ASP CB . 18084 1 350 . 1 1 52 52 ASP N N 15 120.912 0.042 . 1 . . . A 133 ASP N . 18084 1 351 . 1 1 53 53 GLY H H 1 10.276 0.003 . 1 . . . A 134 GLY H . 18084 1 352 . 1 1 53 53 GLY HA2 H 1 4.077 0.050 . 2 . . . A 134 GLY HA2 . 18084 1 353 . 1 1 53 53 GLY HA3 H 1 3.453 0.009 . 2 . . . A 134 GLY HA3 . 18084 1 354 . 1 1 53 53 GLY CA C 13 45.957 0.033 . 1 . . . A 134 GLY CA . 18084 1 355 . 1 1 53 53 GLY N N 15 112.792 0.045 . 1 . . . A 134 GLY N . 18084 1 356 . 1 1 54 54 GLN H H 1 7.993 0.004 . 1 . . . A 135 GLN H . 18084 1 357 . 1 1 54 54 GLN HA H 1 4.960 0.002 . 1 . . . A 135 GLN HA . 18084 1 358 . 1 1 54 54 GLN HB2 H 1 2.035 0.050 . 2 . . . A 135 GLN HB2 . 18084 1 359 . 1 1 54 54 GLN HB3 H 1 1.762 0.050 . 2 . . . A 135 GLN HB3 . 18084 1 360 . 1 1 54 54 GLN CA C 13 53.311 0.016 . 1 . . . A 135 GLN CA . 18084 1 361 . 1 1 54 54 GLN CB C 13 32.662 0.099 . 1 . . . A 135 GLN CB . 18084 1 362 . 1 1 54 54 GLN N N 15 115.190 0.027 . 1 . . . A 135 GLN N . 18084 1 363 . 1 1 55 55 VAL H H 1 9.081 0.006 . 1 . . . A 136 VAL H . 18084 1 364 . 1 1 55 55 VAL HA H 1 5.230 0.011 . 1 . . . A 136 VAL HA . 18084 1 365 . 1 1 55 55 VAL HB H 1 2.372 0.002 . 1 . . . A 136 VAL HB . 18084 1 366 . 1 1 55 55 VAL CA C 13 61.782 0.093 . 1 . . . A 136 VAL CA . 18084 1 367 . 1 1 55 55 VAL CB C 13 33.899 0.045 . 1 . . . A 136 VAL CB . 18084 1 368 . 1 1 55 55 VAL N N 15 125.623 0.039 . 1 . . . A 136 VAL N . 18084 1 369 . 1 1 56 56 ASN H H 1 9.602 0.010 . 1 . . . A 137 ASN H . 18084 1 370 . 1 1 56 56 ASN HA H 1 5.331 0.007 . 1 . . . A 137 ASN HA . 18084 1 371 . 1 1 56 56 ASN HB2 H 1 3.229 0.050 . 2 . . . A 137 ASN HB2 . 18084 1 372 . 1 1 56 56 ASN HB3 H 1 3.137 0.050 . 2 . . . A 137 ASN HB3 . 18084 1 373 . 1 1 56 56 ASN CA C 13 51.131 0.093 . 1 . . . A 137 ASN CA . 18084 1 374 . 1 1 56 56 ASN CB C 13 38.423 0.028 . 1 . . . A 137 ASN CB . 18084 1 375 . 1 1 56 56 ASN N N 15 129.390 0.071 . 1 . . . A 137 ASN N . 18084 1 376 . 1 1 57 57 TYR H H 1 8.361 0.003 . 1 . . . A 138 TYR H . 18084 1 377 . 1 1 57 57 TYR HA H 1 3.400 0.009 . 1 . . . A 138 TYR HA . 18084 1 378 . 1 1 57 57 TYR HB2 H 1 2.399 0.050 . 1 . . . A 138 TYR HB2 . 18084 1 379 . 1 1 57 57 TYR HB3 H 1 2.399 0.050 . 1 . . . A 138 TYR HB3 . 18084 1 380 . 1 1 57 57 TYR CA C 13 62.542 0.033 . 1 . . . A 138 TYR CA . 18084 1 381 . 1 1 57 57 TYR CB C 13 37.957 0.191 . 1 . . . A 138 TYR CB . 18084 1 382 . 1 1 57 57 TYR N N 15 118.471 0.053 . 1 . . . A 138 TYR N . 18084 1 383 . 1 1 58 58 GLU H H 1 8.061 0.004 . 1 . . . A 139 GLU H . 18084 1 384 . 1 1 58 58 GLU HA H 1 3.634 0.007 . 1 . . . A 139 GLU HA . 18084 1 385 . 1 1 58 58 GLU HB2 H 1 2.069 0.050 . 2 . . . A 139 GLU HB2 . 18084 1 386 . 1 1 58 58 GLU HB3 H 1 1.951 0.050 . 2 . . . A 139 GLU HB3 . 18084 1 387 . 1 1 58 58 GLU CA C 13 60.285 0.017 . 1 . . . A 139 GLU CA . 18084 1 388 . 1 1 58 58 GLU CB C 13 28.798 0.074 . 1 . . . A 139 GLU CB . 18084 1 389 . 1 1 58 58 GLU N N 15 118.571 0.026 . 1 . . . A 139 GLU N . 18084 1 390 . 1 1 59 59 GLU H H 1 8.699 0.002 . 1 . . . A 140 GLU H . 18084 1 391 . 1 1 59 59 GLU HA H 1 3.882 0.050 . 1 . . . A 140 GLU HA . 18084 1 392 . 1 1 59 59 GLU HB2 H 1 2.506 0.050 . 2 . . . A 140 GLU HB2 . 18084 1 393 . 1 1 59 59 GLU HB3 H 1 2.248 0.050 . 2 . . . A 140 GLU HB3 . 18084 1 394 . 1 1 59 59 GLU CA C 13 58.783 0.203 . 1 . . . A 140 GLU CA . 18084 1 395 . 1 1 59 59 GLU CB C 13 29.693 0.097 . 1 . . . A 140 GLU CB . 18084 1 396 . 1 1 59 59 GLU N N 15 119.901 0.075 . 1 . . . A 140 GLU N . 18084 1 397 . 1 1 60 60 PHE H H 1 8.604 0.005 . 1 . . . A 141 PHE H . 18084 1 398 . 1 1 60 60 PHE HA H 1 3.555 0.050 . 1 . . . A 141 PHE HA . 18084 1 399 . 1 1 60 60 PHE HB2 H 1 3.267 0.050 . 1 . . . A 141 PHE HB2 . 18084 1 400 . 1 1 60 60 PHE HB3 H 1 3.267 0.050 . 1 . . . A 141 PHE HB3 . 18084 1 401 . 1 1 60 60 PHE CA C 13 61.934 0.100 . 1 . . . A 141 PHE CA . 18084 1 402 . 1 1 60 60 PHE CB C 13 40.046 0.100 . 1 . . . A 141 PHE CB . 18084 1 403 . 1 1 60 60 PHE N N 15 123.530 0.047 . 1 . . . A 141 PHE N . 18084 1 404 . 1 1 61 61 VAL H H 1 8.728 0.006 . 1 . . . A 142 VAL H . 18084 1 405 . 1 1 61 61 VAL HA H 1 3.039 0.008 . 1 . . . A 142 VAL HA . 18084 1 406 . 1 1 61 61 VAL HB H 1 1.776 0.010 . 1 . . . A 142 VAL HB . 18084 1 407 . 1 1 61 61 VAL CA C 13 67.003 0.083 . 1 . . . A 142 VAL CA . 18084 1 408 . 1 1 61 61 VAL CB C 13 31.519 0.088 . 1 . . . A 142 VAL CB . 18084 1 409 . 1 1 61 61 VAL N N 15 119.574 0.020 . 1 . . . A 142 VAL N . 18084 1 410 . 1 1 62 62 GLN H H 1 7.528 0.008 . 1 . . . A 143 GLN H . 18084 1 411 . 1 1 62 62 GLN HA H 1 3.836 0.050 . 1 . . . A 143 GLN HA . 18084 1 412 . 1 1 62 62 GLN HB2 H 1 2.048 0.050 . 1 . . . A 143 GLN HB2 . 18084 1 413 . 1 1 62 62 GLN HB3 H 1 2.048 0.050 . 1 . . . A 143 GLN HB3 . 18084 1 414 . 1 1 62 62 GLN CA C 13 58.888 0.100 . 1 . . . A 143 GLN CA . 18084 1 415 . 1 1 62 62 GLN CB C 13 28.024 0.023 . 1 . . . A 143 GLN CB . 18084 1 416 . 1 1 62 62 GLN N N 15 118.463 0.037 . 1 . . . A 143 GLN N . 18084 1 417 . 1 1 63 63 MET H H 1 7.299 0.007 . 1 . . . A 144 MET H . 18084 1 418 . 1 1 63 63 MET HA H 1 4.188 0.008 . 1 . . . A 144 MET HA . 18084 1 419 . 1 1 63 63 MET HB2 H 1 1.611 0.050 . 1 . . . A 144 MET HB2 . 18084 1 420 . 1 1 63 63 MET HB3 H 1 1.611 0.050 . 1 . . . A 144 MET HB3 . 18084 1 421 . 1 1 63 63 MET CA C 13 56.830 0.165 . 1 . . . A 144 MET CA . 18084 1 422 . 1 1 63 63 MET CB C 13 31.919 0.133 . 1 . . . A 144 MET CB . 18084 1 423 . 1 1 63 63 MET N N 15 117.042 0.056 . 1 . . . A 144 MET N . 18084 1 424 . 1 1 64 64 MET H H 1 7.727 0.007 . 1 . . . A 145 MET H . 18084 1 425 . 1 1 64 64 MET HA H 1 4.297 0.017 . 1 . . . A 145 MET HA . 18084 1 426 . 1 1 64 64 MET HB2 H 1 1.752 0.020 . 1 . . . A 145 MET HB2 . 18084 1 427 . 1 1 64 64 MET HB3 H 1 1.752 0.020 . 1 . . . A 145 MET HB3 . 18084 1 428 . 1 1 64 64 MET CA C 13 55.443 0.033 . 1 . . . A 145 MET CA . 18084 1 429 . 1 1 64 64 MET CB C 13 33.556 0.041 . 1 . . . A 145 MET CB . 18084 1 430 . 1 1 64 64 MET N N 15 115.614 0.031 . 1 . . . A 145 MET N . 18084 1 431 . 1 1 65 65 THR H H 1 7.591 0.003 . 1 . . . A 146 THR H . 18084 1 432 . 1 1 65 65 THR HA H 1 4.283 0.019 . 1 . . . A 146 THR HA . 18084 1 433 . 1 1 65 65 THR CA C 13 62.323 0.076 . 1 . . . A 146 THR CA . 18084 1 434 . 1 1 65 65 THR CB C 13 70.214 0.022 . 1 . . . A 146 THR CB . 18084 1 435 . 1 1 65 65 THR N N 15 110.331 0.124 . 1 . . . A 146 THR N . 18084 1 436 . 1 1 66 66 ALA H H 1 7.564 0.003 . 1 . . . A 147 ALA H . 18084 1 437 . 1 1 66 66 ALA HA H 1 4.319 0.008 . 1 . . . A 147 ALA HA . 18084 1 438 . 1 1 66 66 ALA HB1 H 1 1.422 0.007 . 1 . . . A 147 ALA HB1 . 18084 1 439 . 1 1 66 66 ALA HB2 H 1 1.422 0.007 . 1 . . . A 147 ALA HB2 . 18084 1 440 . 1 1 66 66 ALA HB3 H 1 1.422 0.007 . 1 . . . A 147 ALA HB3 . 18084 1 441 . 1 1 66 66 ALA CA C 13 52.896 0.076 . 1 . . . A 147 ALA CA . 18084 1 442 . 1 1 66 66 ALA CB C 13 19.066 0.035 . 1 . . . A 147 ALA CB . 18084 1 443 . 1 1 66 66 ALA N N 15 126.381 0.078 . 1 . . . A 147 ALA N . 18084 1 444 . 1 1 67 67 LYS H H 1 7.710 0.003 . 1 . . . A 148 LYS H . 18084 1 445 . 1 1 67 67 LYS HA H 1 4.165 0.050 . 1 . . . A 148 LYS HA . 18084 1 446 . 1 1 67 67 LYS HB2 H 1 1.795 0.050 . 1 . . . A 148 LYS HB2 . 18084 1 447 . 1 1 67 67 LYS HB3 H 1 1.795 0.050 . 1 . . . A 148 LYS HB3 . 18084 1 448 . 1 1 67 67 LYS CA C 13 57.475 0.100 . 1 . . . A 148 LYS CA . 18084 1 449 . 1 1 67 67 LYS CB C 13 33.767 0.100 . 1 . . . A 148 LYS CB . 18084 1 450 . 1 1 67 67 LYS N N 15 125.684 0.054 . 1 . . . A 148 LYS N . 18084 1 stop_ save_